(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine

C15H22ClN3 — CID 78934597

IUPAC(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-11(17)12-2-5-15(14(16)10-12)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3/t11-/m1/s1
InChIKeyULDGGCWQCVPYKZ-LLVKDONJSA-N
MW279.81 g/mol
LogP2.64
Rot. Bonds3

About (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 78934597) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
PubChem CID78934597
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-11(17)12-2-5-15(14(16)10-12)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3/t11-/m1/s1
InChIKeyULDGGCWQCVPYKZ-LLVKDONJSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
(1S)-1-[3-chloro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114237230
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
1-(3-chloro-4-thiomorpholin-4-ylphenyl)ethanamine
CID 62908663
(1S)-1-[3-chloro-4-(4,4-diethylpiperidin-1-yl)phenyl]ethanamine
CID 78944491
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine (CID 78934597) is (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is ULDGGCWQCVPYKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11(17)12-2-5-15(14(16)10-12)19-8-6-18(7-9-19)13-3-4-13/h2,5,10-11,13H,3-4,6-9,17H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 279.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78934597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).